N-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-4-fluorobenzamide

C16H13ClFN3O2 — CID 2939521

IUPACN-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-4-fluorobenzamide
SMILESO=C(NC1C(=O)NNC1c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H13ClFN3O2/c17-11-5-1-9(2-6-11)13-14(16(23)21-20-13)19-15(22)10-3-7-12(18)8-4-10/h1-8,13-14,20H,(H,19,22)(H,21,23)
InChIKeyNBWUKGASCBKUCZ-UHFFFAOYSA-N
MW333.75 g/mol
LogP1.95
Rot. Bonds3

About N-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-4-fluorobenzamide

N-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-4-fluorobenzamide (PubChem CID 2939521) has the molecular formula C16H13ClFN3O2 and a molecular weight of 333.75 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-4-fluorobenzamide
PubChem CID2939521
Molecular FormulaC16H13ClFN3O2
Molecular Weight333.75 g/mol
Exact Mass333.07
IUPAC NameN-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-4-fluorobenzamide
SMILESO=C(NC1C(=O)NNC1c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H13ClFN3O2/c17-11-5-1-9(2-6-11)13-14(16(23)21-20-13)19-15(22)10-3-7-12(18)8-4-10/h1-8,13-14,20H,(H,19,22)(H,21,23)
InChIKeyNBWUKGASCBKUCZ-UHFFFAOYSA-N
XLogP1.95
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-4-fluorobenzamide (CID 2939521) is N-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-4-fluorobenzamide is O=C(NC1C(=O)NNC1c1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-4-fluorobenzamide?
The InChIKey is NBWUKGASCBKUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2/c17-11-5-1-9(2-6-11)13-14(16(23)21-20-13)19-15(22)10-3-7-12(18)8-4-10/h1-8,13-14,20H,(H,19,22)(H,21,23).
What are the key properties of N-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-4-fluorobenzamide?
N-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-4-fluorobenzamide has a molecular weight of 333.75 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 2939521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).